Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.0241   -0.6782   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206   -0.4971   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7269   -0.8394   -0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928   -0.2155   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    0.8271   -0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    1.4692   -1.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9976    1.0508   -0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070    0.0074    0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737   -0.6071    0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235   -0.4523    1.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362   -0.4320   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   -1.0890    0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7736   -0.0786   -1.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1424    1.1349   -1.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    2.2862   -1.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9541    1.5294   -0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4501   -1.4201    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804   -0.7119    2.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7481    0.2710    1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160   -1.4149    1.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers